Geometry & MOs

Info

ID:

304790

PubChem CID:

124766176

Reduced:

N3O4C25H29 (1)

Stoich.:

A3B4C25D29 (1)

Weight, g/mol:

435.215806

ΔHf, kcal/mol:

-104.49

Dipole, Da:

1.95

IP(EA), eV:

 -9.0(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,5R,6S,7R)-2-N-cyclopentyl-6-N-cyclopropyl-3-(3-methylphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2[C@H]([C@@]34C=C[C@@H](O3)[C@H]([C@H]4C2=O)C(=O)NC5CC5)C(=O)NC6CCCC6

DOS

IR

Vibrations